N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C25H21N7O — CID 112813528

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 112813528) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
• PubChem CID: 112813528
• Molecular Formula: C25H21N7O
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.18
• IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
• SMILES: O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(-n2cncn2)nc1
• InChI: InChI=1S/C25H21N7O/c33-25(21-11-12-23(27-13-21)32-18-26-17-29-32)28-14-22-16-31(15-19-7-3-1-4-8-19)30-24(22)20-9-5-2-6-10-20/h1-13,16-18H,14-15H2,(H,28,33)
• InChIKey: UFYZPUGWMFYLMX-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 112813528) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(-n2cncn2)nc1.

What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The InChIKey is UFYZPUGWMFYLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c33-25(21-11-12-23(27-13-21)32-18-26-17-29-32)28-14-22-16-31(15-19-7-3-1-4-8-19)30-24(22)20-9-5-2-6-10-20/h1-13,16-18H,14-15H2,(H,28,33).

What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 112813528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).